Exploring molecular docking with MM-GBSA and molecular dynamics simulation to predict potent inhibitors of cyclooxygenase (COX-2) enzyme from terpenoid-based active principles ofZingiberspecies

Post time 2024-4-18 11:32:38

journal：Journal of Biomolecular Structure and Dynamics

Authors：Ananya Nayak; Ayushman Gadnayak; Khirabdhi Tanaya Dash; Sudipta Jena; Asit Ray; Sanghamitra Nayak; Ambika Sahoo

Published date：2023-12-21

DOI：10.1080/07391102.2022.2161011

PDF link：https://www.tandfonline.com/doi/pdf/10.1080/07391102.2022.2161011

Article link：http://dx.doi.org/10.1080/07391102.2022.2161011

Article Source：Informa UK Limited。

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Post time 2024-4-18 11:32:39

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[Taylor&Francis] Exploring molecular docking with MM-GBSA and molecular dynamics simulation to predict potent inhibitors of cyclooxygenase (COX-2) enzyme from terpenoid-based active principles ofZingiberspecies

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